1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride

C9H9ClN4OS — CID 53441304

IUPAC1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride
SMILESCc1nnsc1-c1c(C(=O)Cl)c(C)nn1C
InChIInChI=1S/C9H9ClN4OS/c1-4-6(9(10)15)7(14(3)12-4)8-5(2)11-13-16-8/h1-3H3
InChIKeyMLYDTWSRXOWNRA-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.93
Rot. Bonds2

About 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride

1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride (PubChem CID 53441304) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride
PubChem CID53441304
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride
SMILESCc1nnsc1-c1c(C(=O)Cl)c(C)nn1C
InChIInChI=1S/C9H9ClN4OS/c1-4-6(9(10)15)7(14(3)12-4)8-5(2)11-13-16-8/h1-3H3
InChIKeyMLYDTWSRXOWNRA-UHFFFAOYSA-N
XLogP1.93
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride?
The IUPAC name of 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride (CID 53441304) is 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride?
The canonical SMILES for 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride is Cc1nnsc1-c1c(C(=O)Cl)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride?
The InChIKey is MLYDTWSRXOWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-4-6(9(10)15)7(14(3)12-4)8-5(2)11-13-16-8/h1-3H3.
What are the key properties of 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride?
1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride has a molecular weight of 256.72 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylthiadiazol-5-yl)pyrazole-4-carbonyl chloride is sourced from PubChem (CID 53441304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).